%chk=000037816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037816

0 1
 O   -3.386200      0.8307000      -1.566100    
 N   0.3533000      -2.642700     -0.9176000    
 N   -2.511400     -0.4697000      0.1165000    
 N    4.828000      0.5872000       1.523400    
 N   -4.574100      0.6373000      0.4220000    
 C    1.072300     -0.2580000      -1.112700    
 C    1.484000      -1.724700     -0.6761000    
 C  -0.2117000      0.1822000     -0.3968000    
 C   -1.322600     -0.8454000     -0.6110000    
 C    2.112500      -1.818900      0.7699000    
 C  -0.8709000      -2.253700     -0.2109000    
 C    2.191400      0.7248000     -0.8430000    
 C    3.106900      0.4044000      0.1646000    
 C    3.145300     -0.7582000      0.9599000    
 C    4.153100       1.236600      0.5125000    
 C   0.6846000      -4.042000     -0.6645000    
 C    2.368100       1.951100      -1.491400    
 C    4.223600     -0.6229000       1.802700    
 C    4.348700       2.460400     -0.1289000    
 C    3.430300       2.797900      -1.138900    
 C   -3.485800      0.3645000     -0.4271000    
 C   -5.675400       1.499800      1.4800000E-02
 C   -4.669000      7.3200002E-02   1.766200    
 C   -6.778200      0.7009000     -0.6590000    
 C   -4.017000      0.9852000       2.791600    
 H   0.8893000     -0.2732000      -2.196600    
 H    2.285500      -2.018400      -1.372400    
 H  -2.8800000E-02  0.3144000      0.6786000    
 H  -0.5337000       1.164100     -0.7680000    
 H   -1.574000     -0.8583000      -1.680400    
 H    2.574700      -2.801700      0.9163000    
 H    1.341100      -1.693800       1.537900    
 H  -0.7404000      -2.320300      0.8770000    
 H   -1.678700      -2.953200     -0.4647000    
 H   0.8243000      -4.256800      0.4003000    
 H    1.594900      -4.330500      -1.201400    
 H  -0.1145000      -4.693500      -1.035900    
 H   -2.513600     -0.6904000       1.103600    
 H    1.679700       2.257400      -2.274900    
 H    4.623900      -1.266700       2.573200    
 H    5.648100      0.9433000       1.994500    
 H    5.165100       3.122600      0.1355000    
 H    3.546400       3.745400      -1.660700    
 H   -6.060700       2.043400      0.8839000    
 H   -5.294100       2.242500     -0.6948000    
 H   -5.730200     -4.7800001E-02   2.015800    
 H   -4.247600     -0.9347000       1.811000    
 H   -6.400700      0.1760000      -1.542800    
 H   -7.196400     -4.9100000E-02  2.0000000E-02
 H   -7.588800       1.364200     -0.9757000    
 H   -2.952600       1.128200       2.579300    
 H   -4.488700       1.973200       2.801200    
 H   -4.109800      0.5556000       3.793800    


%chk=000037816-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037816

0 1
O -3.428178 0.784822 -1.521594
N 0.371544 -2.610819 -0.828690
N -2.540710 -0.466776 0.241349
N 5.013485 0.618925 1.446219
N -4.639930 0.629137 0.476863
C 1.099245 -0.251125 -1.054805
C 1.520064 -1.694974 -0.609414
C -0.183622 0.200314 -0.300495
C -1.327477 -0.819832 -0.515629
C 2.130529 -1.760718 0.846308
C -0.871685 -2.243683 -0.125913
C 2.238926 0.741678 -0.868320
C 3.187140 0.431939 0.131437
C 3.225369 -0.730693 0.979392
C 4.303343 1.269526 0.426617
C 0.694892 -4.044248 -0.743027
C 2.433953 1.942913 -1.577932
C 4.360809 -0.594255 1.775945
C 4.496520 2.480625 -0.279224
C 3.544480 2.793708 -1.277566
C -3.529564 0.343323 -0.329166
C -5.674326 1.532864 -0.073108
C -4.875860 0.021659 1.799951
C -6.812008 0.780494 -0.797600
C -4.233953 0.804127 2.972409
H 0.838660 -0.323435 -2.129798
H 2.322634 -2.021916 -1.301705
H 0.033319 0.304892 0.782476
H -0.507251 1.192050 -0.664574
H -1.604395 -0.813209 -1.584128
H 2.506215 -2.783628 1.037595
H 1.329366 -1.574163 1.590614
H -0.771048 -2.304297 0.993685
H -1.659802 -2.964728 -0.412667
H 0.885719 -4.414948 0.294935
H 1.595227 -4.255160 -1.348322
H -0.140875 -4.636471 -1.159431
H -2.526830 -0.638619 1.247010
H 1.735450 2.234869 -2.371314
H 4.766356 -1.246965 2.547380
H 5.872104 0.952735 1.877682
H 5.339352 3.151473 -0.079488
H 3.665661 3.722067 -1.847902
H -6.078959 2.141129 0.759459
H -5.175219 2.211948 -0.784235
H -5.969689 -0.027976 1.956713
H -4.524522 -1.028963 1.795301
H -6.405271 0.232498 -1.664369
H -7.313939 0.057240 -0.127742
H -7.575196 1.493065 -1.162633
H -3.134842 0.865436 2.870867
H -4.620163 1.838458 3.004914
H -4.465548 0.319586 3.939369


